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	hartrees
Energy at 0K	-3184.288165
Energy at 298.15K	-3184.289065
HF Energy	-3183.949766
Nuclear repulsion energy	1190.323392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	472	448	0.00
2	A₁	215	204	0.00
3	B₁	400	380	0.00
4	B₂	249	236	6.82
5	E₁	464	441	1.45
5	E₁	464	441	1.45
6	E₁	194	184	4.18
6	E₁	194	184	4.18
7	E₂	464	441	0.00
7	E₂	464	441	0.00
8	E₂	148	141	0.00
8	E₂	148	141	0.00
9	E₂	73	70	0.00
9	E₂	73	70	0.00
10	E₃	422	401	0.00
10	E₃	422	401	0.00
11	E₃	251	238	0.00
11	E₃	251	238	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.400	0.494
S2	2.400	0.000	0.494
S3	0.000	-2.400	0.494
S4	-2.400	0.000	0.494
S5	-1.697	1.697	-0.494
S6	-1.697	-1.697	-0.494
S7	1.697	-1.697	-0.494
S8	1.697	1.697	-0.494

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.3943	4.8003	3.3943	2.0856	4.5435	4.5435	2.0856
S2	3.3943		3.3943	4.8003	4.5435	4.5435	2.0856	2.0856
S3	4.8003	3.3943		3.3943	4.5435	2.0856	2.0856	4.5435
S4	3.3943	4.8003	3.3943		2.0856	2.0856	4.5435	4.5435
S5	2.0856	4.5435	4.5435	2.0856		3.3943	4.8003	3.3943
S6	4.5435	4.5435	2.0856	2.0856	3.3943		3.3943	4.8003
S7	4.5435	2.0856	2.0856	4.5435	4.8003	3.3943		3.3943
S8	2.0856	2.0856	4.5435	4.5435	3.3943	4.8003	3.3943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	108.928	S1	S8	S2	108.928
S2	S7	S3	108.928	S3	S6	S4	108.928
S5	S1	S8	108.928	S5	S4	S6	108.928
S6	S3	S7	108.928	S7	S2	S8	108.928

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: B2PLYP/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	834.758
(<r²>)^1/2	28.892

All results from a given calculation for S8 (Octasulfur)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for S₈ (Octasulfur)